data_18102
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18102
_Entry.PDB_ID 2LM8
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 18102
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 TRP HA H 2 4.667 4.667 5.036 -0.369 18102
2 1 1 . 1 1 2 2 TRP H H 2 8.611 8.611 8.840 -0.229 18102
3 1 1 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.907 0.532 18102
4 1 1 . 1 1 3 3 PHE H H 3 7.906 7.906 8.106 -0.200 18102
5 1 1 . 1 1 4 4 ARG HA H 4 4.021 4.021 3.941 0.080 18102
6 1 1 . 1 1 4 4 ARG H H 4 8.009 8.009 8.339 -0.330 18102
7 1 1 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.669 -0.638 18102
8 1 1 . 1 1 5 5 VAL H H 5 8.076 8.076 7.987 0.089 18102
9 1 1 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.684 -0.118 18102
10 1 1 . 1 1 6 6 TYR H H 6 8.507 8.507 8.664 -0.157 18102
11 1 1 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.315 -0.023 18102
12 1 1 . 1 1 7 7 ARG H H 7 8.331 8.331 9.054 -0.723 18102
13 1 1 . 1 1 8 8 GLY H H 8 7.784 7.784 8.920 -1.136 18102
14 1 1 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.549 -0.409 18102
15 1 1 . 1 1 9 9 ILE H H 9 7.992 7.992 7.574 0.418 18102
16 1 1 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.548 0.025 18102
17 1 1 . 1 1 10 10 TYR H H 10 8.359 8.359 8.667 -0.308 18102
18 1 1 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.660 -0.387 18102
19 1 1 . 1 1 11 11 ARG H H 11 8.137 8.137 8.290 -0.153 18102
20 1 1 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.708 -0.481 18102
21 1 1 . 1 1 12 12 ARG H H 12 8.329 8.329 8.863 -0.534 18102
22 1 2 . 1 1 2 2 TRP HA H 2 4.667 4.667 5.061 -0.394 18102
23 1 2 . 1 1 2 2 TRP H H 2 8.611 8.611 8.810 -0.199 18102
24 1 2 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.900 0.539 18102
25 1 2 . 1 1 3 3 PHE H H 3 7.906 7.906 8.070 -0.164 18102
26 1 2 . 1 1 4 4 ARG HA H 4 4.021 4.021 4.057 -0.036 18102
27 1 2 . 1 1 4 4 ARG H H 4 8.009 8.009 8.408 -0.399 18102
28 1 2 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.642 -0.611 18102
29 1 2 . 1 1 5 5 VAL H H 5 8.076 8.076 8.084 -0.008 18102
30 1 2 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.822 -0.256 18102
31 1 2 . 1 1 6 6 TYR H H 6 8.507 8.507 8.805 -0.298 18102
32 1 2 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.039 0.253 18102
33 1 2 . 1 1 7 7 ARG H H 7 8.331 8.331 8.082 0.249 18102
34 1 2 . 1 1 8 8 GLY H H 8 7.784 7.784 8.636 -0.852 18102
35 1 2 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.471 -0.331 18102
36 1 2 . 1 1 9 9 ILE H H 9 7.992 7.992 7.452 0.540 18102
37 1 2 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.498 0.075 18102
38 1 2 . 1 1 10 10 TYR H H 10 8.359 8.359 8.599 -0.240 18102
39 1 2 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.718 -0.445 18102
40 1 2 . 1 1 11 11 ARG H H 11 8.137 8.137 8.492 -0.355 18102
41 1 2 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.755 -0.528 18102
42 1 2 . 1 1 12 12 ARG H H 12 8.329 8.329 8.812 -0.483 18102
43 1 3 . 1 1 2 2 TRP HA H 2 4.667 4.667 5.047 -0.380 18102
44 1 3 . 1 1 2 2 TRP H H 2 8.611 8.611 8.885 -0.274 18102
45 1 3 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.947 0.492 18102
46 1 3 . 1 1 3 3 PHE H H 3 7.906 7.906 8.023 -0.117 18102
47 1 3 . 1 1 4 4 ARG HA H 4 4.021 4.021 3.979 0.042 18102
48 1 3 . 1 1 4 4 ARG H H 4 8.009 8.009 8.370 -0.361 18102
49 1 3 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.750 -0.719 18102
50 1 3 . 1 1 5 5 VAL H H 5 8.076 8.076 8.099 -0.023 18102
51 1 3 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.766 -0.200 18102
52 1 3 . 1 1 6 6 TYR H H 6 8.507 8.507 8.612 -0.105 18102
53 1 3 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.162 0.130 18102
54 1 3 . 1 1 7 7 ARG H H 7 8.331 8.331 8.968 -0.637 18102
55 1 3 . 1 1 8 8 GLY H H 8 7.784 7.784 8.668 -0.884 18102
56 1 3 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.430 -0.290 18102
57 1 3 . 1 1 9 9 ILE H H 9 7.992 7.992 7.393 0.599 18102
58 1 3 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.531 0.042 18102
59 1 3 . 1 1 10 10 TYR H H 10 8.359 8.359 8.584 -0.225 18102
60 1 3 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.658 -0.385 18102
61 1 3 . 1 1 11 11 ARG H H 11 8.137 8.137 8.389 -0.252 18102
62 1 3 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.756 -0.529 18102
63 1 3 . 1 1 12 12 ARG H H 12 8.329 8.329 8.882 -0.553 18102
64 1 4 . 1 1 2 2 TRP HA H 2 4.667 4.667 5.004 -0.337 18102
65 1 4 . 1 1 2 2 TRP H H 2 8.611 8.611 8.888 -0.277 18102
66 1 4 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.876 0.563 18102
67 1 4 . 1 1 3 3 PHE H H 3 7.906 7.906 8.039 -0.133 18102
68 1 4 . 1 1 4 4 ARG HA H 4 4.021 4.021 4.070 -0.049 18102
69 1 4 . 1 1 4 4 ARG H H 4 8.009 8.009 8.402 -0.393 18102
70 1 4 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.645 -0.614 18102
71 1 4 . 1 1 5 5 VAL H H 5 8.076 8.076 7.972 0.104 18102
72 1 4 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.815 -0.249 18102
73 1 4 . 1 1 6 6 TYR H H 6 8.507 8.507 8.770 -0.263 18102
74 1 4 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.027 0.265 18102
75 1 4 . 1 1 7 7 ARG H H 7 8.331 8.331 8.331 -0.000 18102
76 1 4 . 1 1 8 8 GLY H H 8 7.784 7.784 8.624 -0.840 18102
77 1 4 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.459 -0.319 18102
78 1 4 . 1 1 9 9 ILE H H 9 7.992 7.992 7.533 0.459 18102
79 1 4 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.592 -0.019 18102
80 1 4 . 1 1 10 10 TYR H H 10 8.359 8.359 8.694 -0.335 18102
81 1 4 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.703 -0.430 18102
82 1 4 . 1 1 11 11 ARG H H 11 8.137 8.137 8.559 -0.422 18102
83 1 4 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.804 -0.577 18102
84 1 4 . 1 1 12 12 ARG H H 12 8.329 8.329 8.820 -0.491 18102
85 1 5 . 1 1 2 2 TRP HA H 2 4.667 4.667 5.035 -0.368 18102
86 1 5 . 1 1 2 2 TRP H H 2 8.611 8.611 8.907 -0.296 18102
87 1 5 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.889 0.550 18102
88 1 5 . 1 1 3 3 PHE H H 3 7.906 7.906 8.072 -0.166 18102
89 1 5 . 1 1 4 4 ARG HA H 4 4.021 4.021 3.996 0.025 18102
90 1 5 . 1 1 4 4 ARG H H 4 8.009 8.009 8.427 -0.418 18102
91 1 5 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.594 -0.563 18102
92 1 5 . 1 1 5 5 VAL H H 5 8.076 8.076 8.126 -0.050 18102
93 1 5 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.710 -0.144 18102
94 1 5 . 1 1 6 6 TYR H H 6 8.507 8.507 8.588 -0.081 18102
95 1 5 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.133 0.159 18102
96 1 5 . 1 1 7 7 ARG H H 7 8.331 8.331 8.995 -0.664 18102
97 1 5 . 1 1 8 8 GLY H H 8 7.784 7.784 8.623 -0.839 18102
98 1 5 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.406 -0.266 18102
99 1 5 . 1 1 9 9 ILE H H 9 7.992 7.992 7.439 0.553 18102
100 1 5 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.550 0.023 18102
101 1 5 . 1 1 10 10 TYR H H 10 8.359 8.359 8.553 -0.194 18102
102 1 5 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.709 -0.436 18102
103 1 5 . 1 1 11 11 ARG H H 11 8.137 8.137 8.572 -0.435 18102
104 1 5 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.789 -0.562 18102
105 1 5 . 1 1 12 12 ARG H H 12 8.329 8.329 8.844 -0.515 18102
106 1 6 . 1 1 2 2 TRP HA H 2 4.667 4.667 5.006 -0.339 18102
107 1 6 . 1 1 2 2 TRP H H 2 8.611 8.611 8.999 -0.388 18102
108 1 6 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.885 0.554 18102
109 1 6 . 1 1 3 3 PHE H H 3 7.906 7.906 8.051 -0.145 18102
110 1 6 . 1 1 4 4 ARG HA H 4 4.021 4.021 4.045 -0.024 18102
111 1 6 . 1 1 4 4 ARG H H 4 8.009 8.009 8.362 -0.353 18102
112 1 6 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.654 -0.623 18102
113 1 6 . 1 1 5 5 VAL H H 5 8.076 8.076 7.904 0.172 18102
114 1 6 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.814 -0.248 18102
115 1 6 . 1 1 6 6 TYR H H 6 8.507 8.507 8.757 -0.250 18102
116 1 6 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.008 0.284 18102
117 1 6 . 1 1 7 7 ARG H H 7 8.331 8.331 8.042 0.289 18102
118 1 6 . 1 1 8 8 GLY H H 8 7.784 7.784 8.610 -0.826 18102
119 1 6 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.475 -0.335 18102
120 1 6 . 1 1 9 9 ILE H H 9 7.992 7.992 7.485 0.507 18102
121 1 6 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.540 0.033 18102
122 1 6 . 1 1 10 10 TYR H H 10 8.359 8.359 8.687 -0.328 18102
123 1 6 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.660 -0.387 18102
124 1 6 . 1 1 11 11 ARG H H 11 8.137 8.137 8.356 -0.219 18102
125 1 6 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.717 -0.490 18102
126 1 6 . 1 1 12 12 ARG H H 12 8.329 8.329 8.830 -0.501 18102
127 1 7 . 1 1 2 2 TRP HA H 2 4.667 4.667 5.014 -0.347 18102
128 1 7 . 1 1 2 2 TRP H H 2 8.611 8.611 8.971 -0.360 18102
129 1 7 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.904 0.535 18102
130 1 7 . 1 1 3 3 PHE H H 3 7.906 7.906 8.067 -0.161 18102
131 1 7 . 1 1 4 4 ARG HA H 4 4.021 4.021 3.994 0.027 18102
132 1 7 . 1 1 4 4 ARG H H 4 8.009 8.009 8.410 -0.401 18102
133 1 7 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.617 -0.586 18102
134 1 7 . 1 1 5 5 VAL H H 5 8.076 8.076 8.097 -0.021 18102
135 1 7 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.742 -0.176 18102
136 1 7 . 1 1 6 6 TYR H H 6 8.507 8.507 8.707 -0.200 18102
137 1 7 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.143 0.149 18102
138 1 7 . 1 1 7 7 ARG H H 7 8.331 8.331 9.022 -0.691 18102
139 1 7 . 1 1 8 8 GLY H H 8 7.784 7.784 8.714 -0.930 18102
140 1 7 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.441 -0.301 18102
141 1 7 . 1 1 9 9 ILE H H 9 7.992 7.992 7.432 0.560 18102
142 1 7 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.514 0.059 18102
143 1 7 . 1 1 10 10 TYR H H 10 8.359 8.359 8.562 -0.203 18102
144 1 7 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.653 -0.380 18102
145 1 7 . 1 1 11 11 ARG H H 11 8.137 8.137 8.373 -0.236 18102
146 1 7 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.718 -0.491 18102
147 1 7 . 1 1 12 12 ARG H H 12 8.329 8.329 8.847 -0.518 18102
148 1 8 . 1 1 2 2 TRP HA H 2 4.667 4.667 4.993 -0.326 18102
149 1 8 . 1 1 2 2 TRP H H 2 8.611 8.611 8.872 -0.261 18102
150 1 8 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.872 0.567 18102
151 1 8 . 1 1 3 3 PHE H H 3 7.906 7.906 8.032 -0.126 18102
152 1 8 . 1 1 4 4 ARG HA H 4 4.021 4.021 4.072 -0.051 18102
153 1 8 . 1 1 4 4 ARG H H 4 8.009 8.009 8.416 -0.407 18102
154 1 8 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.573 -0.542 18102
155 1 8 . 1 1 5 5 VAL H H 5 8.076 8.076 8.038 0.038 18102
156 1 8 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.704 -0.138 18102
157 1 8 . 1 1 6 6 TYR H H 6 8.507 8.507 8.606 -0.099 18102
158 1 8 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.086 0.206 18102
159 1 8 . 1 1 7 7 ARG H H 7 8.331 8.331 8.359 -0.028 18102
160 1 8 . 1 1 8 8 GLY H H 8 7.784 7.784 8.625 -0.841 18102
161 1 8 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.465 -0.325 18102
162 1 8 . 1 1 9 9 ILE H H 9 7.992 7.992 7.509 0.483 18102
163 1 8 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.532 0.041 18102
164 1 8 . 1 1 10 10 TYR H H 10 8.359 8.359 8.581 -0.222 18102
165 1 8 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.738 -0.465 18102
166 1 8 . 1 1 11 11 ARG H H 11 8.137 8.137 8.588 -0.451 18102
167 1 8 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.804 -0.577 18102
168 1 8 . 1 1 12 12 ARG H H 12 8.329 8.329 8.811 -0.482 18102
169 1 9 . 1 1 2 2 TRP HA H 2 4.667 4.667 5.007 -0.340 18102
170 1 9 . 1 1 2 2 TRP H H 2 8.611 8.611 8.936 -0.325 18102
171 1 9 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.902 0.537 18102
172 1 9 . 1 1 3 3 PHE H H 3 7.906 7.906 8.005 -0.099 18102
173 1 9 . 1 1 4 4 ARG HA H 4 4.021 4.021 4.060 -0.039 18102
174 1 9 . 1 1 4 4 ARG H H 4 8.009 8.009 8.417 -0.408 18102
175 1 9 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.619 -0.588 18102
176 1 9 . 1 1 5 5 VAL H H 5 8.076 8.076 8.191 -0.115 18102
177 1 9 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.806 -0.240 18102
178 1 9 . 1 1 6 6 TYR H H 6 8.507 8.507 8.740 -0.233 18102
179 1 9 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.067 0.225 18102
180 1 9 . 1 1 7 7 ARG H H 7 8.331 8.331 8.130 0.201 18102
181 1 9 . 1 1 8 8 GLY H H 8 7.784 7.784 8.733 -0.949 18102
182 1 9 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.527 -0.387 18102
183 1 9 . 1 1 9 9 ILE H H 9 7.992 7.992 7.490 0.502 18102
184 1 9 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.493 0.080 18102
185 1 9 . 1 1 10 10 TYR H H 10 8.359 8.359 8.663 -0.304 18102
186 1 9 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.699 -0.426 18102
187 1 9 . 1 1 11 11 ARG H H 11 8.137 8.137 8.401 -0.264 18102
188 1 9 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.728 -0.501 18102
189 1 9 . 1 1 12 12 ARG H H 12 8.329 8.329 8.795 -0.466 18102
190 1 10 . 1 1 2 2 TRP HA H 2 4.667 4.667 5.006 -0.339 18102
191 1 10 . 1 1 2 2 TRP H H 2 8.611 8.611 8.873 -0.262 18102
192 1 10 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.874 0.565 18102
193 1 10 . 1 1 3 3 PHE H H 3 7.906 7.906 8.034 -0.128 18102
194 1 10 . 1 1 4 4 ARG HA H 4 4.021 4.021 4.072 -0.051 18102
195 1 10 . 1 1 4 4 ARG H H 4 8.009 8.009 8.393 -0.384 18102
196 1 10 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.574 -0.543 18102
197 1 10 . 1 1 5 5 VAL H H 5 8.076 8.076 8.077 -0.001 18102
198 1 10 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.750 -0.184 18102
199 1 10 . 1 1 6 6 TYR H H 6 8.507 8.507 8.747 -0.240 18102
200 1 10 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.152 0.140 18102
201 1 10 . 1 1 7 7 ARG H H 7 8.331 8.331 8.024 0.307 18102
202 1 10 . 1 1 8 8 GLY H H 8 7.784 7.784 8.705 -0.921 18102
203 1 10 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.523 -0.383 18102
204 1 10 . 1 1 9 9 ILE H H 9 7.992 7.992 7.413 0.579 18102
205 1 10 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.530 0.043 18102
206 1 10 . 1 1 10 10 TYR H H 10 8.359 8.359 8.711 -0.352 18102
207 1 10 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.702 -0.429 18102
208 1 10 . 1 1 11 11 ARG H H 11 8.137 8.137 8.443 -0.306 18102
209 1 10 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.769 -0.542 18102
210 1 10 . 1 1 12 12 ARG H H 12 8.329 8.329 8.857 -0.528 18102
211 1 11 . 1 1 2 2 TRP HA H 2 4.667 4.667 5.068 -0.401 18102
212 1 11 . 1 1 2 2 TRP H H 2 8.611 8.611 8.954 -0.343 18102
213 1 11 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.885 0.554 18102
214 1 11 . 1 1 3 3 PHE H H 3 7.906 7.906 8.031 -0.125 18102
215 1 11 . 1 1 4 4 ARG HA H 4 4.021 4.021 4.075 -0.054 18102
216 1 11 . 1 1 4 4 ARG H H 4 8.009 8.009 8.442 -0.433 18102
217 1 11 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.710 -0.679 18102
218 1 11 . 1 1 5 5 VAL H H 5 8.076 8.076 8.126 -0.050 18102
219 1 11 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.678 -0.112 18102
220 1 11 . 1 1 6 6 TYR H H 6 8.507 8.507 8.631 -0.124 18102
221 1 11 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.112 0.180 18102
222 1 11 . 1 1 7 7 ARG H H 7 8.331 8.331 8.001 0.330 18102
223 1 11 . 1 1 8 8 GLY H H 8 7.784 7.784 8.609 -0.825 18102
224 1 11 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.334 -0.194 18102
225 1 11 . 1 1 9 9 ILE H H 9 7.992 7.992 7.334 0.658 18102
226 1 11 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.537 0.036 18102
227 1 11 . 1 1 10 10 TYR H H 10 8.359 8.359 8.431 -0.072 18102
228 1 11 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.682 -0.409 18102
229 1 11 . 1 1 11 11 ARG H H 11 8.137 8.137 8.418 -0.281 18102
230 1 11 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.715 -0.488 18102
231 1 11 . 1 1 12 12 ARG H H 12 8.329 8.329 8.842 -0.513 18102
232 1 12 . 1 1 2 2 TRP HA H 2 4.667 4.667 5.049 -0.382 18102
233 1 12 . 1 1 2 2 TRP H H 2 8.611 8.611 9.002 -0.391 18102
234 1 12 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.892 0.547 18102
235 1 12 . 1 1 3 3 PHE H H 3 7.906 7.906 8.050 -0.144 18102
236 1 12 . 1 1 4 4 ARG HA H 4 4.021 4.021 4.076 -0.055 18102
237 1 12 . 1 1 4 4 ARG H H 4 8.009 8.009 8.434 -0.425 18102
238 1 12 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.604 -0.573 18102
239 1 12 . 1 1 5 5 VAL H H 5 8.076 8.076 8.032 0.044 18102
240 1 12 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.746 -0.180 18102
241 1 12 . 1 1 6 6 TYR H H 6 8.507 8.507 8.773 -0.266 18102
242 1 12 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.226 0.066 18102
243 1 12 . 1 1 7 7 ARG H H 7 8.331 8.331 8.264 0.068 18102
244 1 12 . 1 1 8 8 GLY H H 8 7.784 7.784 8.872 -1.088 18102
245 1 12 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.557 -0.417 18102
246 1 12 . 1 1 9 9 ILE H H 9 7.992 7.992 7.564 0.428 18102
247 1 12 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.531 0.042 18102
248 1 12 . 1 1 10 10 TYR H H 10 8.359 8.359 8.680 -0.321 18102
249 1 12 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.663 -0.390 18102
250 1 12 . 1 1 11 11 ARG H H 11 8.137 8.137 8.250 -0.113 18102
251 1 12 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.696 -0.469 18102
252 1 12 . 1 1 12 12 ARG H H 12 8.329 8.329 8.853 -0.524 18102
253 1 13 . 1 1 2 2 TRP HA H 2 4.667 4.667 4.983 -0.316 18102
254 1 13 . 1 1 2 2 TRP H H 2 8.611 8.611 8.919 -0.308 18102
255 1 13 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.902 0.537 18102
256 1 13 . 1 1 3 3 PHE H H 3 7.906 7.906 7.971 -0.065 18102
257 1 13 . 1 1 4 4 ARG HA H 4 4.021 4.021 4.033 -0.012 18102
258 1 13 . 1 1 4 4 ARG H H 4 8.009 8.009 8.424 -0.415 18102
259 1 13 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.635 -0.604 18102
260 1 13 . 1 1 5 5 VAL H H 5 8.076 8.076 8.101 -0.025 18102
261 1 13 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.837 -0.271 18102
262 1 13 . 1 1 6 6 TYR H H 6 8.507 8.507 8.773 -0.266 18102
263 1 13 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.076 0.216 18102
264 1 13 . 1 1 7 7 ARG H H 7 8.331 8.331 8.578 -0.247 18102
265 1 13 . 1 1 8 8 GLY H H 8 7.784 7.784 8.600 -0.816 18102
266 1 13 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.380 -0.240 18102
267 1 13 . 1 1 9 9 ILE H H 9 7.992 7.992 7.465 0.527 18102
268 1 13 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.613 -0.040 18102
269 1 13 . 1 1 10 10 TYR H H 10 8.359 8.359 8.553 -0.194 18102
270 1 13 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.665 -0.392 18102
271 1 13 . 1 1 11 11 ARG H H 11 8.137 8.137 8.400 -0.263 18102
272 1 13 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.718 -0.491 18102
273 1 13 . 1 1 12 12 ARG H H 12 8.329 8.329 8.834 -0.505 18102
274 1 14 . 1 1 2 2 TRP HA H 2 4.667 4.667 5.008 -0.341 18102
275 1 14 . 1 1 2 2 TRP H H 2 8.611 8.611 8.950 -0.339 18102
276 1 14 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.891 0.548 18102
277 1 14 . 1 1 3 3 PHE H H 3 7.906 7.906 8.057 -0.151 18102
278 1 14 . 1 1 4 4 ARG HA H 4 4.021 4.021 4.045 -0.024 18102
279 1 14 . 1 1 4 4 ARG H H 4 8.009 8.009 8.354 -0.345 18102
280 1 14 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.612 -0.581 18102
281 1 14 . 1 1 5 5 VAL H H 5 8.076 8.076 8.109 -0.033 18102
282 1 14 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.783 -0.217 18102
283 1 14 . 1 1 6 6 TYR H H 6 8.507 8.507 8.731 -0.224 18102
284 1 14 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.022 0.270 18102
285 1 14 . 1 1 7 7 ARG H H 7 8.331 8.331 8.084 0.247 18102
286 1 14 . 1 1 8 8 GLY H H 8 7.784 7.784 8.564 -0.780 18102
287 1 14 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.412 -0.272 18102
288 1 14 . 1 1 9 9 ILE H H 9 7.992 7.992 7.391 0.601 18102
289 1 14 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.519 0.054 18102
290 1 14 . 1 1 10 10 TYR H H 10 8.359 8.359 8.632 -0.273 18102
291 1 14 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.717 -0.444 18102
292 1 14 . 1 1 11 11 ARG H H 11 8.137 8.137 8.513 -0.376 18102
293 1 14 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.753 -0.526 18102
294 1 14 . 1 1 12 12 ARG H H 12 8.329 8.329 8.788 -0.459 18102
295 1 15 . 1 1 2 2 TRP HA H 2 4.667 4.667 5.040 -0.373 18102
296 1 15 . 1 1 2 2 TRP H H 2 8.611 8.611 8.868 -0.257 18102
297 1 15 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.877 0.562 18102
298 1 15 . 1 1 3 3 PHE H H 3 7.906 7.906 8.066 -0.160 18102
299 1 15 . 1 1 4 4 ARG HA H 4 4.021 4.021 3.958 0.063 18102
300 1 15 . 1 1 4 4 ARG H H 4 8.009 8.009 8.408 -0.399 18102
301 1 15 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.538 -0.507 18102
302 1 15 . 1 1 5 5 VAL H H 5 8.076 8.076 8.097 -0.021 18102
303 1 15 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.672 -0.106 18102
304 1 15 . 1 1 6 6 TYR H H 6 8.507 8.507 8.535 -0.028 18102
305 1 15 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.183 0.109 18102
306 1 15 . 1 1 7 7 ARG H H 7 8.331 8.331 9.025 -0.694 18102
307 1 15 . 1 1 8 8 GLY H H 8 7.784 7.784 8.719 -0.935 18102
308 1 15 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.491 -0.351 18102
309 1 15 . 1 1 9 9 ILE H H 9 7.992 7.992 7.448 0.544 18102
310 1 15 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.540 0.033 18102
311 1 15 . 1 1 10 10 TYR H H 10 8.359 8.359 8.642 -0.283 18102
312 1 15 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.725 -0.452 18102
313 1 15 . 1 1 11 11 ARG H H 11 8.137 8.137 8.539 -0.402 18102
314 1 15 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.768 -0.541 18102
315 1 15 . 1 1 12 12 ARG H H 12 8.329 8.329 8.814 -0.485 18102
316 1 16 . 1 1 2 2 TRP HA H 2 4.667 4.667 5.039 -0.372 18102
317 1 16 . 1 1 2 2 TRP H H 2 8.611 8.611 8.937 -0.326 18102
318 1 16 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.896 0.543 18102
319 1 16 . 1 1 3 3 PHE H H 3 7.906 7.906 7.991 -0.085 18102
320 1 16 . 1 1 4 4 ARG HA H 4 4.021 4.021 4.065 -0.044 18102
321 1 16 . 1 1 4 4 ARG H H 4 8.009 8.009 8.436 -0.427 18102
322 1 16 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.623 -0.592 18102
323 1 16 . 1 1 5 5 VAL H H 5 8.076 8.076 8.164 -0.088 18102
324 1 16 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.785 -0.219 18102
325 1 16 . 1 1 6 6 TYR H H 6 8.507 8.507 8.706 -0.199 18102
326 1 16 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.051 0.241 18102
327 1 16 . 1 1 7 7 ARG H H 7 8.331 8.331 7.918 0.413 18102
328 1 16 . 1 1 8 8 GLY H H 8 7.784 7.784 8.602 -0.818 18102
329 1 16 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.405 -0.265 18102
330 1 16 . 1 1 9 9 ILE H H 9 7.992 7.992 7.366 0.626 18102
331 1 16 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.538 0.035 18102
332 1 16 . 1 1 10 10 TYR H H 10 8.359 8.359 8.536 -0.177 18102
333 1 16 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.718 -0.445 18102
334 1 16 . 1 1 11 11 ARG H H 11 8.137 8.137 8.547 -0.410 18102
335 1 16 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.742 -0.515 18102
336 1 16 . 1 1 12 12 ARG H H 12 8.329 8.329 8.788 -0.459 18102
337 1 17 . 1 1 2 2 TRP HA H 2 4.667 4.667 4.993 -0.326 18102
338 1 17 . 1 1 2 2 TRP H H 2 8.611 8.611 9.065 -0.454 18102
339 1 17 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.893 0.546 18102
340 1 17 . 1 1 3 3 PHE H H 3 7.906 7.906 8.055 -0.149 18102
341 1 17 . 1 1 4 4 ARG HA H 4 4.021 4.021 4.077 -0.056 18102
342 1 17 . 1 1 4 4 ARG H H 4 8.009 8.009 8.433 -0.424 18102
343 1 17 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.553 -0.522 18102
344 1 17 . 1 1 5 5 VAL H H 5 8.076 8.076 8.056 0.020 18102
345 1 17 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.692 -0.126 18102
346 1 17 . 1 1 6 6 TYR H H 6 8.507 8.507 8.614 -0.107 18102
347 1 17 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.133 0.159 18102
348 1 17 . 1 1 7 7 ARG H H 7 8.331 8.331 8.224 0.107 18102
349 1 17 . 1 1 8 8 GLY H H 8 7.784 7.784 8.674 -0.890 18102
350 1 17 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.533 -0.393 18102
351 1 17 . 1 1 9 9 ILE H H 9 7.992 7.992 7.476 0.516 18102
352 1 17 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.529 0.044 18102
353 1 17 . 1 1 10 10 TYR H H 10 8.359 8.359 8.700 -0.341 18102
354 1 17 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.746 -0.473 18102
355 1 17 . 1 1 11 11 ARG H H 11 8.137 8.137 8.506 -0.369 18102
356 1 17 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.733 -0.506 18102
357 1 17 . 1 1 12 12 ARG H H 12 8.329 8.329 8.792 -0.463 18102
358 1 18 . 1 1 2 2 TRP HA H 2 4.667 4.667 4.987 -0.320 18102
359 1 18 . 1 1 2 2 TRP H H 2 8.611 8.611 8.896 -0.285 18102
360 1 18 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.850 0.589 18102
361 1 18 . 1 1 3 3 PHE H H 3 7.906 7.906 8.057 -0.151 18102
362 1 18 . 1 1 4 4 ARG HA H 4 4.021 4.021 4.052 -0.031 18102
363 1 18 . 1 1 4 4 ARG H H 4 8.009 8.009 8.456 -0.447 18102
364 1 18 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.646 -0.615 18102
365 1 18 . 1 1 5 5 VAL H H 5 8.076 8.076 8.110 -0.034 18102
366 1 18 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.791 -0.225 18102
367 1 18 . 1 1 6 6 TYR H H 6 8.507 8.507 8.699 -0.192 18102
368 1 18 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.077 0.215 18102
369 1 18 . 1 1 7 7 ARG H H 7 8.331 8.331 7.901 0.430 18102
370 1 18 . 1 1 8 8 GLY H H 8 7.784 7.784 8.658 -0.874 18102
371 1 18 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.495 -0.355 18102
372 1 18 . 1 1 9 9 ILE H H 9 7.992 7.992 7.445 0.547 18102
373 1 18 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.509 0.064 18102
374 1 18 . 1 1 10 10 TYR H H 10 8.359 8.359 8.627 -0.268 18102
375 1 18 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.710 -0.437 18102
376 1 18 . 1 1 11 11 ARG H H 11 8.137 8.137 8.486 -0.349 18102
377 1 18 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.789 -0.562 18102
378 1 18 . 1 1 12 12 ARG H H 12 8.329 8.329 8.849 -0.520 18102
379 1 19 . 1 1 2 2 TRP HA H 2 4.667 4.667 5.031 -0.364 18102
380 1 19 . 1 1 2 2 TRP H H 2 8.611 8.611 8.804 -0.193 18102
381 1 19 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.889 0.550 18102
382 1 19 . 1 1 3 3 PHE H H 3 7.906 7.906 7.976 -0.070 18102
383 1 19 . 1 1 4 4 ARG HA H 4 4.021 4.021 4.048 -0.027 18102
384 1 19 . 1 1 4 4 ARG H H 4 8.009 8.009 8.435 -0.426 18102
385 1 19 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.673 -0.642 18102
386 1 19 . 1 1 5 5 VAL H H 5 8.076 8.076 8.094 -0.018 18102
387 1 19 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.681 -0.115 18102
388 1 19 . 1 1 6 6 TYR H H 6 8.507 8.507 8.616 -0.109 18102
389 1 19 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.084 0.208 18102
390 1 19 . 1 1 7 7 ARG H H 7 8.331 8.331 7.931 0.400 18102
391 1 19 . 1 1 8 8 GLY H H 8 7.784 7.784 8.670 -0.886 18102
392 1 19 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.532 -0.392 18102
393 1 19 . 1 1 9 9 ILE H H 9 7.992 7.992 7.460 0.532 18102
394 1 19 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.533 0.040 18102
395 1 19 . 1 1 10 10 TYR H H 10 8.359 8.359 8.689 -0.330 18102
396 1 19 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.712 -0.439 18102
397 1 19 . 1 1 11 11 ARG H H 11 8.137 8.137 8.459 -0.322 18102
398 1 19 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.806 -0.579 18102
399 1 19 . 1 1 12 12 ARG H H 12 8.329 8.329 8.852 -0.523 18102
400 1 20 . 1 1 2 2 TRP HA H 2 4.667 4.667 4.994 -0.327 18102
401 1 20 . 1 1 2 2 TRP H H 2 8.611 8.611 8.864 -0.253 18102
402 1 20 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.886 0.553 18102
403 1 20 . 1 1 3 3 PHE H H 3 7.906 7.906 8.043 -0.137 18102
404 1 20 . 1 1 4 4 ARG HA H 4 4.021 4.021 4.047 -0.026 18102
405 1 20 . 1 1 4 4 ARG H H 4 8.009 8.009 8.399 -0.390 18102
406 1 20 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.606 -0.575 18102
407 1 20 . 1 1 5 5 VAL H H 5 8.076 8.076 8.186 -0.110 18102
408 1 20 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.781 -0.215 18102
409 1 20 . 1 1 6 6 TYR H H 6 8.507 8.507 8.713 -0.206 18102
410 1 20 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.012 0.280 18102
411 1 20 . 1 1 7 7 ARG H H 7 8.331 8.331 7.987 0.344 18102
412 1 20 . 1 1 8 8 GLY H H 8 7.784 7.784 8.645 -0.861 18102
413 1 20 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.529 -0.389 18102
414 1 20 . 1 1 9 9 ILE H H 9 7.992 7.992 7.490 0.502 18102
415 1 20 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.533 0.040 18102
416 1 20 . 1 1 10 10 TYR H H 10 8.359 8.359 8.691 -0.332 18102
417 1 20 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.668 -0.395 18102
418 1 20 . 1 1 11 11 ARG H H 11 8.137 8.137 8.338 -0.201 18102
419 1 20 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.749 -0.522 18102
420 1 20 . 1 1 12 12 ARG H H 12 8.329 8.329 8.886 -0.557 18102
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 0 0.000 0.000 0.000 18102
2 1 1 "Average Difference" HA 12 0.342 0.139 0.327 18102
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18102
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18102
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18102
6 1 1 "Average Difference" HN 11 0.489 0.297 0.407 18102
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18102
8 1 2 "Average Difference" HA 12 0.361 0.128 0.352 18102
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18102
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18102
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18102
12 1 2 "Average Difference" HN 11 0.406 0.201 0.370 18102
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18102
14 1 3 "Average Difference" HA 12 0.357 0.123 0.350 18102
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18102
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18102
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18102
18 1 3 "Average Difference" HN 11 0.447 0.258 0.383 18102
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18102
20 1 4 "Average Difference" HA 12 0.363 0.130 0.354 18102
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18102
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18102
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18102
24 1 4 "Average Difference" HN 11 0.402 0.236 0.341 18102
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18102
26 1 5 "Average Difference" HA 12 0.346 0.103 0.345 18102
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18102
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18102
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18102
30 1 5 "Average Difference" HN 11 0.451 0.282 0.369 18102
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18102
32 1 6 "Average Difference" HA 12 0.350 0.117 0.345 18102
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18102
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18102
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18102
36 1 6 "Average Difference" HN 11 0.407 0.186 0.379 18102
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18102
38 1 7 "Average Difference" HA 12 0.332 0.103 0.329 18102
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18102
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18102
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18102
42 1 7 "Average Difference" HN 11 0.465 0.287 0.383 18102
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18102
44 1 8 "Average Difference" HA 12 0.350 0.114 0.346 18102
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18102
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18102
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18102
48 1 8 "Average Difference" HN 11 0.392 0.218 0.341 18102
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18102
50 1 9 "Average Difference" HA 12 0.349 0.124 0.341 18102
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18102
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18102
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18102
54 1 9 "Average Difference" HN 11 0.418 0.224 0.370 18102
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18102
56 1 10 "Average Difference" HA 12 0.346 0.127 0.336 18102
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18102
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18102
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18102
60 1 10 "Average Difference" HN 11 0.433 0.203 0.401 18102
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18102
62 1 11 "Average Difference" HA 12 0.351 0.103 0.350 18102
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18102
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18102
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18102
66 1 11 "Average Difference" HN 11 0.417 0.162 0.403 18102
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18102
68 1 12 "Average Difference" HA 12 0.337 0.145 0.318 18102
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18102
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18102
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18102
72 1 12 "Average Difference" HN 11 0.446 0.248 0.389 18102
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18102
74 1 13 "Average Difference" HA 12 0.338 0.110 0.334 18102
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18102
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18102
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18102
78 1 13 "Average Difference" HN 11 0.394 0.234 0.332 18102
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18102
80 1 14 "Average Difference" HA 12 0.351 0.101 0.351 18102
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18102
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18102
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18102
84 1 14 "Average Difference" HN 11 0.401 0.194 0.368 18102
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18102
86 1 15 "Average Difference" HA 12 0.341 0.108 0.338 18102
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18102
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18102
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18102
90 1 15 "Average Difference" HN 11 0.465 0.284 0.387 18102
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18102
92 1 16 "Average Difference" HA 12 0.349 0.114 0.345 18102
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18102
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18102
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18102
96 1 16 "Average Difference" HN 11 0.425 0.177 0.405 18102
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18102
98 1 17 "Average Difference" HA 12 0.338 0.123 0.329 18102
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18102
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18102
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18102
102 1 17 "Average Difference" HN 11 0.422 0.232 0.369 18102
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18102
104 1 18 "Average Difference" HA 12 0.363 0.124 0.356 18102
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18102
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18102
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18102
108 1 18 "Average Difference" HN 11 0.432 0.195 0.405 18102
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18102
110 1 19 "Average Difference" HA 12 0.366 0.130 0.357 18102
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18102
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18102
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18102
114 1 19 "Average Difference" HN 11 0.421 0.177 0.401 18102
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18102
116 1 20 "Average Difference" HA 12 0.350 0.114 0.346 18102
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18102
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18102
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18102
120 1 20 "Average Difference" HN 11 0.411 0.200 0.377 18102
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 18102
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 TRP HA H 2 4.667 4.667 5.020 -0.353 18102
2 1 . 1 1 2 2 TRP H H 2 8.611 8.611 8.912 -0.301 18102
3 1 . 1 1 3 3 PHE HA H 3 4.439 4.439 3.891 0.548 18102
4 1 . 1 1 3 3 PHE H H 3 7.906 7.906 8.040 -0.134 18102
5 1 . 1 1 4 4 ARG HA H 4 4.021 4.021 4.038 -0.017 18102
6 1 . 1 1 4 4 ARG H H 4 8.009 8.009 8.408 -0.399 18102
7 1 . 1 1 5 5 VAL HA H 5 4.031 4.031 4.627 -0.596 18102
8 1 . 1 1 5 5 VAL H H 5 8.076 8.076 8.082 -0.007 18102
9 1 . 1 1 6 6 TYR HA H 6 4.566 4.566 4.753 -0.187 18102
10 1 . 1 1 6 6 TYR H H 6 8.507 8.507 8.689 -0.182 18102
11 1 . 1 1 7 7 ARG HA H 7 4.292 4.292 4.105 0.187 18102
12 1 . 1 1 7 7 ARG H H 7 8.331 8.331 8.346 -0.015 18102
13 1 . 1 1 8 8 GLY H H 8 7.784 7.784 8.674 -0.890 18102
14 1 . 1 1 9 9 ILE HA H 9 4.140 4.140 4.471 -0.331 18102
15 1 . 1 1 9 9 ILE H H 9 7.992 7.992 7.458 0.534 18102
16 1 . 1 1 10 10 TYR HA H 10 4.573 4.573 4.535 0.038 18102
17 1 . 1 1 10 10 TYR H H 10 8.359 8.359 8.624 -0.265 18102
18 1 . 1 1 11 11 ARG HA H 11 4.273 4.273 4.695 -0.422 18102
19 1 . 1 1 11 11 ARG H H 11 8.137 8.137 8.446 -0.309 18102
20 1 . 1 1 12 12 ARG HA H 12 4.227 4.227 4.751 -0.524 18102
21 1 . 1 1 12 12 ARG H H 12 8.329 8.329 8.833 -0.504 18102
stop_
save_